5-butyl-2-[1-(4-methoxyphenyl)ethyl]pyridine

C18H23NO — CID 19858973

IUPAC5-butyl-2-[1-(4-methoxyphenyl)ethyl]pyridine
SMILESCCCCc1ccc(C(C)c2ccc(OC)cc2)nc1
InChIInChI=1S/C18H23NO/c1-4-5-6-15-7-12-18(19-13-15)14(2)16-8-10-17(20-3)11-9-16/h7-14H,4-6H2,1-3H3
InChIKeyJAKLUKZDCQKLMF-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.58
Rot. Bonds6

About 5-butyl-2-[1-(4-methoxyphenyl)ethyl]pyridine

5-butyl-2-[1-(4-methoxyphenyl)ethyl]pyridine (PubChem CID 19858973) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 5-butyl-2-[1-(4-methoxyphenyl)ethyl]pyridine.

Molecular Properties

Compound Name5-butyl-2-[1-(4-methoxyphenyl)ethyl]pyridine
PubChem CID19858973
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name5-butyl-2-[1-(4-methoxyphenyl)ethyl]pyridine
SMILESCCCCc1ccc(C(C)c2ccc(OC)cc2)nc1
InChIInChI=1S/C18H23NO/c1-4-5-6-15-7-12-18(19-13-15)14(2)16-8-10-17(20-3)11-9-16/h7-14H,4-6H2,1-3H3
InChIKeyJAKLUKZDCQKLMF-UHFFFAOYSA-N
XLogP4.58
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-methoxyphenyl)ethyl]-5-pentylpyridine
CID 19858872
5-butyl-2-[1-(4-octoxyphenyl)ethyl]pyridine
CID 19859623
2-[1-(4-heptoxyphenyl)ethyl]-5-octylpyridine
CID 19859021
2-[1-(4-heptoxyphenyl)ethyl]-5-heptylpyridine
CID 19858643
2-[1-(4-octoxyphenyl)ethyl]-5-pentylpyridine
CID 19859018
2-[1-(4-ethoxyphenyl)ethyl]-5-hexylpyridine
CID 19858713
2-[1-(4-pentoxyphenyl)ethyl]-5-propylpyridine
CID 19859674
2-[1-[4-(4-pentoxyphenyl)phenyl]ethyl]-5-pentylpyridine
CID 19859124
2-[1-(4-butoxyphenyl)ethyl]-5-ethylpyridine
CID 19858932
5-heptyl-2-[1-[4-(4-octoxyphenyl)phenyl]ethyl]pyridine
CID 19859422
5-heptyl-2-[1-[4-(4-propoxyphenyl)phenyl]ethyl]pyridine
CID 19859414
2-[1-[4-(4-heptoxyphenyl)phenyl]ethyl]-5-propylpyridine
CID 19858906

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-[1-(4-methoxyphenyl)ethyl]pyridine?
The IUPAC name of 5-butyl-2-[1-(4-methoxyphenyl)ethyl]pyridine (CID 19858973) is 5-butyl-2-[1-(4-methoxyphenyl)ethyl]pyridine.
What is the SMILES notation for 5-butyl-2-[1-(4-methoxyphenyl)ethyl]pyridine?
The canonical SMILES for 5-butyl-2-[1-(4-methoxyphenyl)ethyl]pyridine is CCCCc1ccc(C(C)c2ccc(OC)cc2)nc1.
What is the InChIKey of 5-butyl-2-[1-(4-methoxyphenyl)ethyl]pyridine?
The InChIKey is JAKLUKZDCQKLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-5-6-15-7-12-18(19-13-15)14(2)16-8-10-17(20-3)11-9-16/h7-14H,4-6H2,1-3H3.
What are the key properties of 5-butyl-2-[1-(4-methoxyphenyl)ethyl]pyridine?
5-butyl-2-[1-(4-methoxyphenyl)ethyl]pyridine has a molecular weight of 269.39 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-[1-(4-methoxyphenyl)ethyl]pyridine is sourced from PubChem (CID 19858973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).